Geometry & MOs

Info

ID:	218359
PubChem CID:	85089226
Reduced:	O8H24C25 (1)
Stoich.:	A8B24C25 (1)
Weight, g/mol:	452.169585
ΔH_f, kcal/mol:	-273.53
Dipole, Da:	3.17
IP(EA), eV:	-8.77(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-cyanophenyl)carbamoylamino]-4-[(1-methoxy-1-oxo-3-phenylbutan-2-yl)amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC(=O)C1=C(C=C2C=C(OC2=C1)C3=COC(C(C3)COC(=O)C)C4=CC(=C(C=C4)O)OC)O

DOS

IR

Vibrations